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PUBCHEM-ZINC06091355

 MMsINC code: MMs03537356
Type: Neutral
Formula: C6H5ClO2
SMILES:   Clc1cc(O)cc(O)c1
InChI:   InChI=1/C6H5ClO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.5932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.557 g/mol  logS: -1.39527  SlogP: 1.7512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0236168  Sterimol/B1: 2.23939  Sterimol/B2: 2.24098  Sterimol/B3: 2.5649
  Sterimol/B4: 6.55222  Sterimol/L: 8.27994 
 
 Surface and Volume Properties
  Accessible surface: 301.151  Positive charged surface: 139.645  Negative charged surface: 161.506  Volume: 119
  Hydrophobic surface: 197.428  Hydrophilic surface: 103.723
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.